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6L6K
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Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
分子名称: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ...
著者Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
2P15
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BU of 2p15 by Molmil
Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol
分子名称: (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, GRIP peptide
著者Bruning, J.B, Nettles, K.W, Greene, G.L, Kim, Y.
登録日2007-03-02
公開日2007-05-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
6L37
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X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L8B
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BU of 6l8b by Molmil
The ligand-free structure of human PPARgamma LBD
分子名称: Peroxisome proliferator-activated receptor gamma
著者Jang, D.M, Han, B.W.
登録日2019-11-05
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma.
Biomolecules, 10, 2020
6L88
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BU of 6l88 by Molmil
Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone
分子名称: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, Mineralocorticoid receptor
著者Takahashi, M, Hanzawa, H.
登録日2019-11-05
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150).
Febs Lett., 594, 2020
2P1U
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BU of 2p1u by Molmil
Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
分子名称: (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
著者Bourguet, W, Nahoum, V.
登録日2007-03-06
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P54
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BU of 2p54 by Molmil
a crystal structure of PPAR alpha bound with SRC1 peptide and GW735
分子名称: 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M.
登録日2007-03-14
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007
6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LB6
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BU of 6lb6 by Molmil
Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
分子名称: 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
登録日2019-11-13
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
To Be Published
6LB4
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BU of 6lb4 by Molmil
Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
分子名称: 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ...
著者Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
登録日2019-11-13
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
6L38
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BU of 6l38 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.761 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
2PIV
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BU of 2piv by Molmil
Androgen receptor with small molecule
分子名称: 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6LO9
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BU of 6lo9 by Molmil
Crystal structure of RORgammat with ligand C46D bound
分子名称: 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
著者Feng, Y, Shijie, C.
登録日2020-01-04
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86004949 Å)
主引用文献Crystal structure of RORgammat with ligand C46D bound
To Be Published
2POB
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BU of 2pob by Molmil
PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709
分子名称: GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma
著者Nolte, R.T.
登録日2007-04-26
公開日2008-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cocrystal structure guided array synthesis of PPARgamma inverse agonists
BIOORG.MED.CHEM.LETT., 17, 2007
6LX4
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BU of 6lx4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX7
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BU of 6lx7 by Molmil
X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, STEARIC ACID
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LXC
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BU of 6lxc by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding
分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
2PIR
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BU of 2pir by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SALICYLALDEHYDE, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Q5G
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BU of 2q5g by Molmil
Ligand binding domain of PPAR delta receptor in complex with a partial agonist
分子名称: Peroxisome proliferator-activated receptor delta, [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID
著者Pettersson, I, Sauerberg, P, Johansson, E, Hoffman, I, Tari, L.W, Hunter, M.J, Nix, J.
登録日2007-06-01
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of a partial PPARdelta agonist.
Bioorg.Med.Chem.Lett., 17, 2007
2POG
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BU of 2pog by Molmil
Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor
著者Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A.
登録日2007-04-26
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
2Q7I
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BU of 2q7i by Molmil
The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide
分子名称: Androgen receptor, GLYCEROL, SULFATE ION, ...
著者Gampe, R.T.
登録日2007-06-06
公開日2007-07-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
6MD2
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BU of 6md2 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
2Q8S
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BU of 2q8s by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
分子名称: (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2007-06-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.
Bioorg.Med.Chem., 16, 2008
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
分子名称: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
著者Kallen, J.
登録日2007-04-16
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
2Q5P
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Crystal Structure of PPARgamma bound to partial agonist MRL24
分子名称: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007

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